2-[(2R)-2-methyl-2-phenylmorpholin-4-yl]acetic acid

C13H17NO3 — CID 124692791

IUPAC2-[(2R)-2-methyl-2-phenylmorpholin-4-yl]acetic acid
SMILESC[C@@]1(c2ccccc2)CN(CC(=O)O)CCO1
InChIInChI=1S/C13H17NO3/c1-13(11-5-3-2-4-6-11)10-14(7-8-17-13)9-12(15)16/h2-6H,7-10H2,1H3,(H,15,16)/t13-/m0/s1
InChIKeyBFDFNJBHYPFXRD-ZDUSSCGKSA-N
MW235.28 g/mol
LogP1.32
Rot. Bonds3

About 2-[(2R)-2-methyl-2-phenylmorpholin-4-yl]acetic acid

2-[(2R)-2-methyl-2-phenylmorpholin-4-yl]acetic acid (PubChem CID 124692791) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-[(2R)-2-methyl-2-phenylmorpholin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-2-methyl-2-phenylmorpholin-4-yl]acetic acid
PubChem CID124692791
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-[(2R)-2-methyl-2-phenylmorpholin-4-yl]acetic acid
SMILESC[C@@]1(c2ccccc2)CN(CC(=O)O)CCO1
InChIInChI=1S/C13H17NO3/c1-13(11-5-3-2-4-6-11)10-14(7-8-17-13)9-12(15)16/h2-6H,7-10H2,1H3,(H,15,16)/t13-/m0/s1
InChIKeyBFDFNJBHYPFXRD-ZDUSSCGKSA-N
XLogP1.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methyl-2-phenylmorpholin-4-yl]acetic acid?
The IUPAC name of 2-[(2R)-2-methyl-2-phenylmorpholin-4-yl]acetic acid (CID 124692791) is 2-[(2R)-2-methyl-2-phenylmorpholin-4-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-2-methyl-2-phenylmorpholin-4-yl]acetic acid?
The canonical SMILES for 2-[(2R)-2-methyl-2-phenylmorpholin-4-yl]acetic acid is C[C@@]1(c2ccccc2)CN(CC(=O)O)CCO1.
What is the InChIKey of 2-[(2R)-2-methyl-2-phenylmorpholin-4-yl]acetic acid?
The InChIKey is BFDFNJBHYPFXRD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17NO3/c1-13(11-5-3-2-4-6-11)10-14(7-8-17-13)9-12(15)16/h2-6H,7-10H2,1H3,(H,15,16)/t13-/m0/s1.
What are the key properties of 2-[(2R)-2-methyl-2-phenylmorpholin-4-yl]acetic acid?
2-[(2R)-2-methyl-2-phenylmorpholin-4-yl]acetic acid has a molecular weight of 235.28 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methyl-2-phenylmorpholin-4-yl]acetic acid is sourced from PubChem (CID 124692791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).